Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6156893 | 0.86 | KMT2A (0.40) | PPARGPPARAHSD11B1CDK2AKT1 | |
| SCHEMBL6678334 | 0.74 | HTR7 (0.37) | PPARGPPARAHSD11B1CA12CA1 | |
| SCHEMBL1107921 | 0.68 | SCN9A (0.45) | HSD11B1SCN9AHSD17B1 | |
| SCHEMBL4955280 | 0.68 | DPP4 (0.44) | HSD11B1CA12CA1CA2CA9 | |
| SCHEMBL6153697 | 0.68 | CA12 (0.41) | HSD11B1CA12CA1CA2CA9 | |
| SCHEMBL1107918 | 0.65 | SCN9A (0.42) | HSD11B1SCN9A | |
| SCHEMBL2442712 | 0.64 | HSD11B1 (0.54) | HSD11B1 | |
| SCHEMBL1107958 | 0.64 | SCN9A (0.43) | HSD11B1SCN9A | |
| SCHEMBL9654593 | 0.63 | HSD11B1 (0.49) | HSD11B1 | |
| SCHEMBL8051369 | 0.63 | HSD11B1 (0.49) | HSD11B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |